λ1-rhodium(1+) ion tris(triphenylphosphane) bromide

• ChemBase ID: 303468
• Molecular Formular: C54H45BrP3Rh
• Molecular Mass: 969.665883
• Monoisotopic Mass: 968.09725233
• SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Br-].[Rh+]
• Canonical SMILES: c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.c1ccc(cc1)P(c1ccccc1)c1ccccc1.[Br-].[Rh+]
• InChI: InChI=1S/3C18H15P.BrH.Rh/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;;/h3*1-15H;1H;/q;;;;+1/p-1
• InChIKey: NCOJWJLEQUCXMV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^1-rhodium(1+) ion tris(triphenylphosphane) bromide
• IUPAC Traditional name: λ^1-rhodium(1+) ion tris(triphenylphosphine) bromide
• Synonyms: Bromotris(triphenylphosphine)rhodium(I); 三(三苯基膦)溴化铑(I)

Database IDs

• CAS Number: 14973-89-8
• EC Number: 239-050-5
• MDL Number: MFCD00009828

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.1066
• LogD (pH = 7.4): 5.1066
• Log P: 5.1066
• Molar Refractivity: 81.6229 cm^3
• Polarizability: 32.34495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: Soluble in chlorinated solvents
• Apperance: Crystalline

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 99.95% (metals basis), Rh 10.1% min